MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009231
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009231
RECORD_TITLE: ETHYL 4-OXOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-OXOPENTANOATE
CH$NAME: ETHYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O3
CH$EXACT_MASS: 144.07864
CH$SMILES: CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
CH$LINK: INCHIKEY
GMEONFUTDYJSNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047058
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0097-9100000000-e17c4b8e6a264be46500
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.9 19
26 2 20
27 10.9 109
28 0.7 7
29 15.6 156
30 1.3 13
31 1.1 11
39 0.16 2
41 1.3 13
42 5.8 58
43 99.99 999
44 0.22 2
45 8.4 84
55 11.6 116
56 7.5 75
57 0.79 8
58 1.7 17
61 1 10
71 12.4 124
72 0.13 1
73 15.4 154
74 22.6 226
75 5.3 53
98 1.13 11
99 83.4 834
100 4.9 49
101 22.7 227
102 1.88 19
103 1.4 14
129 28.3 283
130 1.8 18
144 6.8 68
//